N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide

C38H40N10O7 — CID 138728259

About N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide

N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide (PubChem CID 138728259) has the molecular formula C38H40N10O7 and a molecular weight of 748.80 g/mol. Its IUPAC name is N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide
• PubChem CID: 138728259
• Molecular Formula: C38H40N10O7
• Molecular Weight: 748.80 g/mol
• Exact Mass: 748.31
• IUPAC Name: N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CCCOCCOCCNCc3ccc(-n4cc(NC(=O)c5cc(C#N)ccn5)c(C(N)=O)n4)cc3)c21
• InChI: InChI=1S/C38H40N10O7/c1-46-34-26(4-2-6-30(34)48(38(46)53)31-11-12-32(49)44-37(31)52)5-3-16-54-18-19-55-17-15-41-22-24-7-9-27(10-8-24)47-23-29(33(45-47)35(40)50)43-36(51)28-20-25(21-39)13-14-42-28/h2,4,6-10,13-14,20,23,31,41H,3,5,11-12,15-19,22H2,1H3,(H2,40,50)(H,43,51)(H,44,49,52)
• InChIKey: NQMLVFDDNBATJA-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 230.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.80
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide?

The IUPAC name of N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide (CID 138728259) is N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide.

What is the SMILES notation for N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide?

The canonical SMILES for N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CCCOCCOCCNCc3ccc(-n4cc(NC(=O)c5cc(C#N)ccn5)c(C(N)=O)n4)cc3)c21.

What is the InChIKey of N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide?

The InChIKey is NQMLVFDDNBATJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N10O7/c1-46-34-26(4-2-6-30(34)48(38(46)53)31-11-12-32(49)44-37(31)52)5-3-16-54-18-19-55-17-15-41-22-24-7-9-27(10-8-24)47-23-29(33(45-47)35(40)50)43-36(51)28-20-25(21-39)13-14-42-28/h2,4,6-10,13-14,20,23,31,41H,3,5,11-12,15-19,22H2,1H3,(H2,40,50)(H,43,51)(H,44,49,52).

What are the key properties of N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide?

N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide has a molecular weight of 748.80 g/mol, XLogP of 1.88, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-carbamoyl-1-[4-[[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]pyrazol-4-yl]-4-cyanopyridine-2-carboxamide is sourced from PubChem (CID 138728259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).